CID 385144

Nsc676161

Structural Information

Molecular Formula
C7H13ClN4O
SMILES
C1CNC(=NC1)NNC(=O)CCCl
InChI
InChI=1S/C7H13ClN4O/c8-3-2-6(13)11-12-7-9-4-1-5-10-7/h1-5H2,(H,11,13)(H2,9,10,12)
InChIKey
IIAWBIBLLSBPKZ-UHFFFAOYSA-N
Compound name
3-chloro-N'-(1,4,5,6-tetrahydropyrimidin-2-yl)propanehydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.07779 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.08507 143.9
[M+Na]+ 227.06701 148.8
[M-H]- 203.07051 142.5
[M+NH4]+ 222.11161 159.5
[M+K]+ 243.04095 145.2
[M+H-H2O]+ 187.07505 136.7
[M+HCOO]- 249.07599 159.0
[M+CH3COO]- 263.09164 182.5
[M+Na-2H]- 225.05246 149.7
[M]+ 204.07724 139.5
[M]- 204.07834 139.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.